6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide

C21H15FN6O — CID 66940812

IUPAC6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1cnc2ccc(Nc3ccc(F)cc3)nn12
InChIInChI=1S/C21H15FN6O/c22-14-2-5-15(6-3-14)25-19-7-8-20-24-12-18(28(20)27-19)21(29)26-16-4-1-13-9-10-23-17(13)11-16/h1-12,23H,(H,25,27)(H,26,29)
InChIKeyCNXOEIHOEULCAQ-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.35
Rot. Bonds4

About 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide

6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 66940812) has the molecular formula C21H15FN6O and a molecular weight of 386.39 g/mol. Its IUPAC name is 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID66940812
Molecular FormulaC21H15FN6O
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2cc[nH]c2c1)c1cnc2ccc(Nc3ccc(F)cc3)nn12
InChIInChI=1S/C21H15FN6O/c22-14-2-5-15(6-3-14)25-19-7-8-20-24-12-18(28(20)27-19)21(29)26-16-4-1-13-9-10-23-17(13)11-16/h1-12,23H,(H,25,27)(H,26,29)
InChIKeyCNXOEIHOEULCAQ-UHFFFAOYSA-N
XLogP4.35
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 66940812) is 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccc2cc[nH]c2c1)c1cnc2ccc(Nc3ccc(F)cc3)nn12.
What is the InChIKey of 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is CNXOEIHOEULCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O/c22-14-2-5-15(6-3-14)25-19-7-8-20-24-12-18(28(20)27-19)21(29)26-16-4-1-13-9-10-23-17(13)11-16/h1-12,23H,(H,25,27)(H,26,29).
What are the key properties of 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoroanilino)-N-(1H-indol-6-yl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 66940812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).